Masashi Tsubaki

This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional neural network (CNN) for proteins.

masashitsubaki

Graph neural network (GNN) for molecular property prediction (3D structure)

masashitsubaki

The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.

masashitsubaki

Quantum deep field for molecule

masashitsubaki